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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

35893641
35893641

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Popular Name: (4aS,5R)-3-(2-fluorophenyl)-N-(3-methoxyphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-car (4aS,5R)-3-(2-fluorophenyl)-N-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 11.4 -11.65 1 5 0 45 431.511 4 ↓

Analogs

35893639
35893639

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Popular Name: (4aS,5S)-3-(2-fluorophenyl)-N-(3-methoxyphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-car (4aS,5S)-3-(2-fluorophenyl)-N-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.93 11.14 -14.86 1 5 0 45 431.511 4 ↓

Analogs

35893832
35893832
35893834
35893834
35893836
35893836

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Popular Name: (4aS,5S)-3-(2-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5S)-3-(2-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 12.59 -9.35 1 4 0 36 435.93 3 ↓

Analogs

35893834
35893834
35893836
35893836
35893830
35893830

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(2-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5R)-3-(2-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 12.89 -12.42 1 4 0 36 435.93 3 ↓

Analogs

35893836
35893836
35893830
35893830
35893832
35893832

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(2-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5S)-3-(2-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 13.28 -8.55 1 4 0 36 435.93 3 ↓

Analogs

35893830
35893830
35893832
35893832
35893834
35893834

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-3-(2-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5R)-3-(2-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.58 12.58 -10.14 1 4 0 36 435.93 3 ↓

Analogs

35893902
35893902
35893903
35893903
35893905
35893905

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5S)-3-(3-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5S)-3-(3-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.60 11.89 -9.07 1 4 0 36 435.93 3 ↓

Analogs

35893903
35893903
35893905
35893905
35893900
35893900

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,5R)-3-(3-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aS,5R)-3-(3-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.60 12.21 -12.74 1 4 0 36 435.93 3 ↓

Analogs

35893905
35893905
35893900
35893900
35893902
35893902

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-3-(3-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5S)-3-(3-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.60 12.67 -12.05 1 4 0 36 435.93 3 ↓

Analogs

35893900
35893900
35893902
35893902
35893903
35893903

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5R)-3-(3-chlorophenyl)-N-(4-fluorophenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carb (4aR,5R)-3-(3-chlorophenyl)-N-(4…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.60 11.9 -9.16 1 4 0 36 435.93 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(4-fluorophenyl)-3-phenyl-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-carboxamide (4aR,5S)-N-(4-fluorophenyl)-3-ph…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.95 12.18 -11.45 1 4 0 36 401.485 3 ↓

Analogs

35544298
35544298
35544301
35544301

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(4-fluorophenyl)-3-(3-methoxyphenyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-car (4aR,5S)-N-(4-fluorophenyl)-3-(3…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.98 11.48 -12.44 1 5 0 45 431.511 4 ↓

Analogs

35555208
35555208
35555310
35555310

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,5S)-N-(4-fluorophenyl)-8-nitro-3-(p-tolyl)-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinoline-5-car (4aR,5S)-N-(4-fluorophenyl)-8-ni…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.33 13.55 -15.73 1 7 0 81 460.509 4 ↓

Parameters Provided:

ring.id = 41554
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 41554 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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